2-(5-Fluoro-2-methylphenyl)acetonitrile - CAS 80141-97-5

Catalog:	BB036470
Product Name:	2-(5-Fluoro-2-methylphenyl)acetonitrile
CAS:	80141-97-5
Synonyms:	2-(5-fluoro-2-methylphenyl)acetonitrile; 2-(5-fluoro-2-methylphenyl)acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(5-fluoro-2-methylphenyl)acetonitrile
Description:	2-(5-Fluoro-2-methylphenyl)acetonitrile (CAS# 80141-97-5) is a useful research chemical.
Molecular Weight:	149.16
Molecular Formula:	C9H8FN
Canonical SMILES:	CC1=C(C=C(C=C1)F)CC#N
InChI:	InChI=1S/C9H8FN/c1-7-2-3-9(10)6-8(7)4-5-11/h2-3,6H,4H2,1H3
InChI Key:	COYCHCYSJJZVQR-UHFFFAOYSA-N
Boiling Point:	237.4 °C at 760 mmHg
Density:	1.095 g/cm³
MDL:	MFCD01631529
LogP:	2.20018

Publication Number	Title	Priority Date
WO-2020048829-A1	3,9-diazaspiro[5.5]undecane compounds	20180903
TW-202024083-A	3,9-diazaspiro[5.5]undecane compounds	20180903
AU-2018251087-A1	Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof	20170410
AU-2018251758-A1	Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof	20170410
CA-3059273-A1	Substituted n-arylethyl-2-arylquinoline-4-carboxamides and use thereof	20170410

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.064077422
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.064077422
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2